2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
TL;DR: 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate (CAS 115365-13-4) is a chemical compound with molecular formula C13H19N2O9P and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
Also Known As: 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate, 2'-deoxyuridine 5'-[(ethoxycarbonyl)-O-methyl]phosphonate, Uridine, 2'-deoxy-,5'-[methyl (ethoxycarbonyl)phosphonate] (9CI), ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formate, ((1-(2,4-Dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide
| Molecular Formula | C13H19N2O9P |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 0.1976 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.08282 |
| Heavy Atoms | 25 |
| Complexity | 773.2534 |
Chemical Identifiers
| CAS Number | 115365-13-4 |
|---|---|
| SMILES | CCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O |
Product Overview
2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate (CAS 115365-13-4), with molecular formula C13H19N2O9P and molecular weight 378.08 g/mol. IUPAC: ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate.
Chemical Property Profile of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
Property Insights of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate
The XLogP value of 0.1976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate. The TPSA of 146.15 Ų indicates high polarity, suggesting 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The CAS number of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is 115365-13-4.
What is the molecular formula of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The molecular formula of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is C13H19N2O9P.
What is the molecular weight of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
The molecular weight of 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate is 378.08 g/mol.
Where can I buy 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
You can request a quote for 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.